N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

C21H19FN4O2S — CID 163337356

About N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide

N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (PubChem CID 163337356) has the molecular formula C21H19FN4O2S and a molecular weight of 410.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• PubChem CID: 163337356
• Molecular Formula: C21H19FN4O2S
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.12
• IUPAC Name: N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide
• SMILES: CC(C)C1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3F)N21
• InChI: InChI=1S/C21H19FN4O2S/c1-12(2)18-20(28)25-19-13-7-3-5-9-15(13)24-21(26(18)19)29-11-17(27)23-16-10-6-4-8-14(16)22/h3-10,12,18H,11H2,1-2H3,(H,23,27)
• InChIKey: MKDHXLGRIUJUOD-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 74.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?

The IUPAC name of N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide (CID 163337356) is N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide.

What is the SMILES notation for N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?

The canonical SMILES for N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is CC(C)C1C(=O)N=C2c3ccccc3N=C(SCC(=O)Nc3ccccc3F)N21.

What is the InChIKey of N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?

The InChIKey is MKDHXLGRIUJUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2S/c1-12(2)18-20(28)25-19-13-7-3-5-9-15(13)24-21(26(18)19)29-11-17(27)23-16-10-6-4-8-14(16)22/h3-10,12,18H,11H2,1-2H3,(H,23,27).

What are the key properties of N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide?

N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide has a molecular weight of 410.47 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-2-[(2-oxo-3-propan-2-yl-3H-imidazo[1,2-c]quinazolin-5-yl)sulfanyl]acetamide is sourced from PubChem (CID 163337356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).